REMARK Name = BDB026535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.653 -0.799 -1.183 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -1.876 -1.198 -2.060 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -3.093 -1.719 -1.277 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -2.868 -3.120 -0.701 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -3.519 -0.834 -0.179 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.581 0.257 0.111 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -1.149 -0.267 0.185 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.238 -2.025 -0.982 0.00 0.00 +0.311 C ATOM 9 O LIG 1 0.576 -2.532 0.076 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 0.647 -2.585 -2.140 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 1.262 -3.287 -1.840 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 0.151 0.285 -1.963 0.00 0.00 +0.074 C BRANCH 12 15 ATOM 13 C LIG 1 3.540 0.320 -0.502 0.00 0.00 +0.124 A ATOM 14 N LIG 1 2.387 -0.063 -1.095 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 1.382 0.832 -1.271 0.00 0.00 +0.047 A ATOM 16 C LIG 1 1.493 2.165 -0.864 0.00 0.00 -0.029 A ATOM 17 C LIG 1 0.407 3.179 -1.065 0.00 0.00 +0.045 C ATOM 18 C LIG 1 2.683 2.546 -0.243 0.00 0.00 +0.008 A ATOM 19 C LIG 1 3.708 1.619 -0.057 0.00 0.00 +0.044 A BRANCH 13 20 ATOM 20 N LIG 1 4.489 -0.686 -0.370 0.00 0.00 -0.283 N ATOM 21 H LIG 1 4.053 -1.566 -0.620 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 9.297 0.311 0.449 0.00 0.00 +0.065 C ATOM 23 C LIG 1 7.946 -0.259 0.265 0.00 0.00 +0.035 A ATOM 24 N LIG 1 7.689 -1.594 0.383 0.00 0.00 -0.280 N ATOM 25 H LIG 1 8.338 -2.341 0.605 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 6.411 -1.917 0.149 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 5.801 -0.751 -0.083 0.00 0.00 +0.146 A ATOM 28 C LIG 1 6.732 0.314 -0.049 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 13 20 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -4.895 -0.341 -0.375 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 -5.502 0.256 0.872 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -6.006 1.560 0.865 0.00 0.00 +0.146 A ATOM 32 F LIG 1 -5.931 2.287 -0.261 0.00 0.00 -0.204 F ATOM 33 C LIG 1 -6.578 2.112 2.012 0.00 0.00 +0.076 A ATOM 34 CL LIG 1 -7.191 3.722 1.998 0.00 0.00 -0.081 Cl ATOM 35 C LIG 1 -6.659 1.361 3.185 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -6.165 0.056 3.206 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -5.592 -0.494 2.057 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8